7KKL
| SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | 登録日 | 2020-10-27 | 公開日 | 2020-11-11 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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6N3J
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7VZF
| Cryo-EM structure of amyloid fibril formed by full-length human SOD1 | 分子名称: | Superoxide dismutase [Cu-Zn] | 著者 | Wang, L.Q, Ma, Y.Y, Yuan, H.Y, Zhao, K, Zhang, M.Y, Wang, Q, Huang, X, Xu, W.C, Chen, J, Li, D, Zhang, D.L, Zou, L.Y, Yin, P, Liu, C, Liang, Y. | 登録日 | 2021-11-16 | 公開日 | 2022-06-29 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Cryo-EM structure of an amyloid fibril formed by full-length human SOD1 reveals its conformational conversion. Nat Commun, 13, 2022
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7W8L
| Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R | 分子名称: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | 著者 | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | 登録日 | 2021-12-08 | 公開日 | 2022-08-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis. Chem Sci, 13, 2022
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7W5N
| The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH | 分子名称: | L-sorbosone dehydrogenase, NAD(P) dependent, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Li, D, Hou, X.D, Rao, Y.J, Yin, D.J, Zhou, J.W, Chen, J. | 登録日 | 2021-11-30 | 公開日 | 2023-03-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.988 Å) | 主引用文献 | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
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7W5K
| The C296A mutant of L-sorbosone dehydrogenase (SNDH) from Gluconobacter Oxydans WSH-004 | 分子名称: | L-sorbosone dehydrogenase, NAD(P) dependent, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | 登録日 | 2021-11-30 | 公開日 | 2023-03-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase. Adv Sci, 10, 2023
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2FVM
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3LE4
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4JV7
| Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one | 分子名称: | (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | 登録日 | 2013-03-25 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors. J.Med.Chem., 56, 2013
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4JVR
| Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | 分子名称: | (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | 著者 | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | 登録日 | 2013-03-26 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors. J.Med.Chem., 56, 2013
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4YN0
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2Z9T
| Crystal structure of the human beta-2 microglobulin mutant W60G | 分子名称: | Beta-2-microglobulin | 著者 | Ricagno, S, Bolognesi, M, Bellotti, V, Corazza, A, Rennella, E, Gural, D, Mimmi, M.C, Betto, E, Pucillo, C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M. | 登録日 | 2007-09-26 | 公開日 | 2008-04-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The controlling roles of Trp60 and Trp95 in beta2-microglobulin function, folding and amyloid aggregation properties J.Mol.Biol., 378, 2008
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4RED
| Crystal structure of human AMPK alpha1 KD-AID with K43A mutation | 分子名称: | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 著者 | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | 登録日 | 2014-09-22 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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6DHG
| RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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6DHO
| RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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5TVV
| Computationally Designed Fentanyl Binder - Fen49* Apo | 分子名称: | Endo-1,4-beta-xylanase A, POTASSIUM ION | 著者 | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, A.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | 登録日 | 2016-11-10 | 公開日 | 2017-10-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Computational design of environmental sensors for the potent opioid fentanyl. Elife, 6, 2017
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4A2S
| Structure of the engineered retro-aldolase RA95.5 | 分子名称: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | 著者 | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | 登録日 | 2011-09-28 | 公開日 | 2012-11-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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6DHE
| RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | 分子名称: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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4RRN
| 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | 分子名称: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | 著者 | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | 登録日 | 2014-11-06 | 公開日 | 2014-12-03 | 最終更新日 | 2014-12-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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3WS6
| Crystal Structure of H-2D in complex with a mimotopic peptide | 分子名称: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | 著者 | Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2014-02-28 | 公開日 | 2014-03-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses J. Immunol., 193, 2014
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6FMC
| Neuropilin1-b1 domain in complex with EG01377, 0.9 Angstrom structure | 分子名称: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1 | 著者 | Yelland, T, Djordjevic, S, Fotinou, K, Selwood, D, Zachary, I, Frankel, P. | 登録日 | 2018-01-30 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells. J. Med. Chem., 61, 2018
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4RPM
| Crystal structure of the SAT domain from the non-reducing fungal polyketide synthase CazM with bound hexanoyl | 分子名称: | HEXANOIC ACID, HEXANOYL-COENZYME A, SAT domain from CazM | 著者 | Winter, J.M, Cascio, D, Sawaya, M.R, Tang, Y. | 登録日 | 2014-10-30 | 公開日 | 2015-09-09 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Biochemical and Structural Basis for Controlling Chemical Modularity in Fungal Polyketide Biosynthesis. J.Am.Chem.Soc., 137, 2015
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3HVJ
| Rat catechol O-methyltransferase in complex with a catechol-type, N6-propyladenine-containing bisubstrate inhibitor | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ... | 著者 | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | 登録日 | 2009-06-16 | 公開日 | 2009-10-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor. Angew.Chem.Int.Ed.Engl., 48, 2009
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6NIY
| A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex | 分子名称: | Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M. | 登録日 | 2019-01-02 | 公開日 | 2019-01-23 | 最終更新日 | 2024-10-09 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | The Molecular Control of Calcitonin Receptor Signaling. Acs Pharmacol Transl Sci, 2, 2019
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6NTS
| Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP) | 分子名称: | MANGANESE (II) ION, N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform, ... | 著者 | Huang, W, Taylor, D. | 登録日 | 2019-01-30 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | 主引用文献 | Selective PP2A Enhancement through Biased Heterotrimer Stabilization. Cell, 181, 2020
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